(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione

C180H278N18O35 — CID 159425082

About (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 159425082) has the molecular formula C180H278N18O35 and a molecular weight of 3254.29 g/mol. Its IUPAC name is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione
• PubChem CID: 159425082
• Molecular Formula: C180H278N18O35
• Molecular Weight: 3254.29 g/mol
• Exact Mass: 3252.05
• IUPAC Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)CC1CCC(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)CC1CCC(C(=O)O)CC1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)O)C(C)C.NC1CCC(C(=O)OCc2ccccc2)CC1.O=C1CCC(=O)N1O
• InChI: InChI=1S/C60H92N6O11.C55H87N5O10.C47H75N5O9.C14H19NO2.C4H5NO3/c1-12-38(6)57(52(76-10)33-55(73)65-28-16-20-48(65)58(77-11)39(7)49(68)31-42(59(61)74)30-43-34-62-47-19-14-13-18-45(43)47)64(9)60(75)46(36(2)3)32-50(69)56(37(4)5)63(8)27-15-17-44(67)29-40-21-23-41(24-22-40)51(70)35-66-53(71)25-26-54(66)72;1-12-35(6)51(59(9)54(66)43(33(2)3)30-47(63)50(34(4)5)58(8)25-15-17-41(61)27-37-21-23-38(24-22-37)55(67)68)48(69-10)31-49(64)60-26-16-20-45(60)52(70-11)36(7)46(62)29-39(53(56)65)28-40-32-57-44-19-14-13-18-42(40)44;1-12-30(6)44(51(9)47(59)35(28(2)3)25-39(54)43(29(4)5)50(8)21-16-20-42(56)57)40(60-10)26-41(55)52-22-15-19-37(52)45(61-11)31(7)38(53)24-32(46(48)58)23-33-27-49-36-18-14-13-17-34(33)36;15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;6-3-1-2-4(7)5(3)8/h13-14,18-19,34,36-42,46,48,52,56-58,62H,12,15-17,20-33,35H2,1-11H3,(H2,61,74);13-14,18-19,32-39,43,45,48,50-52,57H,12,15-17,20-31H2,1-11H3,(H2,56,65)(H,67,68);13-14,17-18,27-32,35,37,40,43-45,49H,12,15-16,19-26H2,1-11H3,(H2,48,58)(H,56,57);1-5,12-13H,6-10,15H2;8H,1-2H2/t38-,39-,40?,41?,42+,46-,48-,52+,56-,57-,58+;35-,36-,37?,38?,39+,43-,45-,48+,50-,51-,52+;30-,31-,32+,35-,37-,40+,43-,44-,45+;;/m000../s1
• InChIKey: LQGBDQRHEWRUST-JRKPSOLASA-N
• XLogP: 22.17
• TPSA: 739.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 92
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3254.29
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione?

The IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione (CID 159425082) is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione.

What is the SMILES notation for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione?

The canonical SMILES for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)CC1CCC(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)CC1CCC(C(=O)O)CC1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)CCCC(=O)O)C(C)C.NC1CCC(C(=O)OCc2ccccc2)CC1.O=C1CCC(=O)N1O.

What is the InChIKey of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione?

The InChIKey is LQGBDQRHEWRUST-JRKPSOLASA-N. The full InChI is InChI=1S/C60H92N6O11.C55H87N5O10.C47H75N5O9.C14H19NO2.C4H5NO3/c1-12-38(6)57(52(76-10)33-55(73)65-28-16-20-48(65)58(77-11)39(7)49(68)31-42(59(61)74)30-43-34-62-47-19-14-13-18-45(43)47)64(9)60(75)46(36(2)3)32-50(69)56(37(4)5)63(8)27-15-17-44(67)29-40-21-23-41(24-22-40)51(70)35-66-53(71)25-26-54(66)72;1-12-35(6)51(59(9)54(66)43(33(2)3)30-47(63)50(34(4)5)58(8)25-15-17-41(61)27-37-21-23-38(24-22-37)55(67)68)48(69-10)31-49(64)60-26-16-20-45(60)52(70-11)36(7)46(62)29-39(53(56)65)28-40-32-57-44-19-14-13-18-42(40)44;1-12-30(6)44(51(9)47(59)35(28(2)3)25-39(54)43(29(4)5)50(8)21-16-20-42(56)57)40(60-10)26-41(55)52-22-15-19-37(52)45(61-11)31(7)38(53)24-32(46(48)58)23-33-27-49-36-18-14-13-17-34(33)36;15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;6-3-1-2-4(7)5(3)8/h13-14,18-19,34,36-42,46,48,52,56-58,62H,12,15-17,20-33,35H2,1-11H3,(H2,61,74);13-14,18-19,32-39,43,45,48,50-52,57H,12,15-17,20-31H2,1-11H3,(H2,56,65)(H,67,68);13-14,17-18,27-32,35,37,40,43-45,49H,12,15-16,19-26H2,1-11H3,(H2,48,58)(H,56,57);1-5,12-13H,6-10,15H2;8H,1-2H2/t38-,39-,40?,41?,42+,46-,48-,52+,56-,57-,58+;35-,36-,37?,38?,39+,43-,45-,48+,50-,51-,52+;30-,31-,32+,35-,37-,40+,43-,44-,45+;;/m000../s1.

What are the key properties of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione?

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 3254.29 g/mol, XLogP of 22.17, 92 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[5-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]cyclohexyl]-4-oxopentyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 159425082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).